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BDBM50050515 Boronic acid derivative::CHEMBL63652

SMILES: N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O

InChI Key: InChIKey=BMCGYCXNUMDZSH-RYUDHWBXSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50050515   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050515
PNG
(Boronic acid derivative | CHEMBL63652 | US11096924...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H19BN2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12,18-19H,4,7-9,15H2/t11-,12-/m0/s1
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Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro for inhibition of Dipeptidylpeptidase IV.


J Med Chem 39: 2087-94 (1996)


Article DOI: 10.1021/jm950732f
BindingDB Entry DOI: 10.7270/Q29Z95K5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50050515
PNG
(Boronic acid derivative | CHEMBL63652 | US11096924...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H19BN2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12,18-19H,4,7-9,15H2/t11-,12-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050515
PNG
(Boronic acid derivative | CHEMBL63652 | US11096924...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H19BN2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12,18-19H,4,7-9,15H2/t11-,12-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DPP8/9


(Homo sapiens (Human))
BDBM50050515
PNG
(Boronic acid derivative | CHEMBL63652 | US11096924...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H19BN2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12,18-19H,4,7-9,15H2/t11-,12-/m0/s1
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UniChem

Similars

n/an/a 9.20E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase II (DPP2)


(Homo sapiens (Human))
BDBM50050515
PNG
(Boronic acid derivative | CHEMBL63652 | US11096924...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H19BN2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12,18-19H,4,7-9,15H2/t11-,12-/m0/s1
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n/an/a 800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50050515
PNG
(Boronic acid derivative | CHEMBL63652 | US11096924...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H19BN2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12,18-19H,4,7-9,15H2/t11-,12-/m0/s1
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Similars

n/an/a 1.70E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Homeobox protein PKNOX1


(Human)
BDBM50050515
PNG
(Boronic acid derivative | CHEMBL63652 | US11096924...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H19BN2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12,18-19H,4,7-9,15H2/t11-,12-/m0/s1
PDB

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UniChem

Similars

n/an/a 7.10E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050515
PNG
(Boronic acid derivative | CHEMBL63652 | US11096924...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H19BN2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12,18-19H,4,7-9,15H2/t11-,12-/m0/s1
PDB
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Reactome pathway
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PC sid
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Similars

n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair